UID:
almahu_9949471359402882
Format:
1 online resource (81 pages)
Edition:
1st ed.
ISBN:
9789180750035
Series Statement:
Linköping University Medical Dissertations ; v.2281
Content:
This thesis by Kaifeng Niu explores the mechanisms of chemical reactions on two-dimensional MXenes and metal surfaces using density functional theory (DFT). It investigates C(sp3)-H activation on MXenes, revealing their potential as highly efficient heterogeneous catalysts. The work also examines the desulfonylation reaction for constructing C-C bonds and the formation of 2D biphenylene networks on metal surfaces. Additionally, it proposes a single Ni atom catalyst supported by Ti3C2T2 MXenes for nitrogen reduction. The research aims to contribute to the rational design of catalysts and synthetic strategies for new organic materials, with potential applications in energy storage, material synthesis, and reducing environmental impact.
Note:
ABSTRACT -- POPULÄRVETENSKAPLIG SAMMANFATTNING -- Abbreviations -- Included papers -- Related papers -- Acknowledgments -- Contents -- 1 Introduction -- 2 Theory and methodology -- 3 Summary of included papers -- 4 Conclusions and outlook -- Bibliography -- Papers
Additional Edition:
ISBN 9789180750028
Language:
English
Keywords:
Electronic books.
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